ATOM 13
1 P1b P 29.8573 -17.6179
2 O3b O 29.8573 -16.2197
3 O2b O 31.2555 -17.6179
4 O2b O 28.4590 -17.6179
5 O2b O 29.8573 -19.0162
6 C1c C 27.2482 -18.3171
7 C1d C 26.0372 -17.6179
8 C1a C 31.0681 -19.7153
9 C1a C 31.9546 -16.4071
10 X Br 27.2482 -19.7151
11 X Cl 24.8076 -18.3281
12 X Br 26.0371 -16.2199
13 X Cl 24.8263 -16.9188
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 1 5 1
5 4 6 1
6 6 7 1
7 5 8 1
8 3 9 1
9 6 10 1
10 7 11 1
11 7 12 1
12 7 13 1
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